SCHEMBL5530308

SCHEMBL5530308

Cc1ccc(NC(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 6/20 0.67
NPC1 O15118 5/20 0.67
MEN1 O00255 5/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 3/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PPIA P62937 1/20 0.59
ALDH1A1 P00352 5/20 0.56
ALOX12 P18054 1/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
RECQL P46063 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2312502 0.87 KMT2A (0.75) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL2312499 0.87 KMT2A (0.75) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11326938 0.87 KMT2A (0.85) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL27684440 0.86 KMT2A (0.61) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL14662373 0.86 PPIA (0.66) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7600834 0.85 ALDH1A1 (0.72) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL30483195 0.85 ALDH1A1 (0.72) KMT2ARAB9ASMN1; SMN2MAPTNPC1
Nitric Acid SCHEMBL3858285 0.83 KMT2A (0.58) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL10889357 0.83 KMT2A (0.65) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL27761089 0.82 MAPK1 (0.54) KMT2ARAB9ASMN1; SMN2MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1656237-A Antiviral inhibition of capsid proteins UNIV MARYLAND (US) 2005-08-17 CN claimed
CN-102264720-A Isoindoline compounds for the treatment of cancer 2011-11-30 CN disclosed
US-7361459-B2 Antiviral inhibition of capsid proteins UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2008-04-22 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1656237-A Antiviral inhibition of capsid proteins UNIV MARYLAND (US) 2005-08-17 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KMT2A 792/4885RAB9A 902/4885SMN1; SMN2 1509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.